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Journal of Computational Chemistry, ISSN 0192-8651, 10/2017, Volume 38, Issue 26, pp. 2276 - 2282
A numerically efficient yet highly accurate implementation of the crystal orbital Hamilton population (COHP) scheme for plane‐wave calculations is presented.... 
crystal orbital Hamilton population | phase transition | bonding | indium nanowires | density functional theory | NORM-CONSERVING PSEUDOPOTENTIALS | MOLECULAR-DYNAMICS | ELECTRONIC-STRUCTURE CALCULATIONS | CHEMISTRY, MULTIDISCIPLINARY | PROJECTION | POPULATION ANALYSIS | SOLIDS | SYSTEMS | BASIS-SETS | CHAINS | PLANE-WAVE | Density functionals
Journal Article
Molecules, ISSN 1420-3049, 11/2017, Volume 22, Issue 11, p. 2034
In the present work an in depth deep electronic study of multicenter XBs (FX) /NH₃ (X = Cl, Br and n = 1-5) is conducted. The ways in which X∙∙∙X lateral... 
IQA scheme | Covalence | Multiple bonds | Halogen bond | QTAIM | Models, Molecular | Halogens - chemistry | Algorithms | Kinetics | Models, Chemical | Molecular Conformation | Charge density | Bromine | Ammonia | Chlorine | Energy measurement | Molecular interactions | Bonding strength | Chemical bonds | Electron charge distribution | Quantum theory | halogen bond | covalence | multiple bonds
Journal Article
Materials and Design, ISSN 0264-1275, 10/2016, Volume 108, pp. 343 - 353
This research aimed to produce Al/Cu bimetal through the compound casting process. The control of the thickness and type of IMCs layers at Al/Cu interface were... 
Interfaces | Intermetallics | Liquid-solid reactions | Microstructure | Bonding | Electrical transport | INTERFACE | BEHAVIOR | MATERIALS SCIENCE, MULTIDISCIPLINARY | FORMING PROCESS | ROD EXTRUSION | COMPOSITE | Electrical conductivity | Intermetallic compounds | Analysis | Laminated metals | Founding | Hardness | Electric properties | Bimetals | Phases | Pouring | Aluminum | Bonding strength | Formations | Copper | Melts
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 07/2018, Volume 57, Issue 29, pp. 9008 - 9012
Journal Article
Macromolecular Rapid Communications, ISSN 1022-1336, 08/2018, Volume 39, Issue 16, pp. e1800190 - n/a
Journal Article
Shear bond strength of adhesive systems to saliva-contaminated dentin, 12/2004
This study evaluated the shear bond strength of two adhesive systems: Scotchbond Multi-Purpose (SBMP) and Clearfil Liner Bond 2V (CLB2V) on different dentin... 
dentin-bonding agents, saliva, contamination, shear bond strength, resin composite
Journal
Chemistry – A European Journal, ISSN 0947-6539, 01/2015, Volume 21, Issue 4, pp. 1474 - 1481
CF3H as a proton donor was paired with a variety of anions, and its properties were assessed by MP2/aug‐cc‐pVDZ calculations. The binding energy of monoanions... 
quantum chemical calculations | molecular electrostatic potential | hydrogen bonding | NBO | electron‐density shift | Molecular electrostatic potential | Electron-density shift | Quantum chemical calculations | Hydrogen bonding
Journal Article
15.